2-[(2-amino-2-oxoethyl)-(quinoline-8-carbonyl)amino]acetic acid

C14H13N3O4 — CID 107433551

IUPAC2-[(2-amino-2-oxoethyl)-(quinoline-8-carbonyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)c1cccc2cccnc12
InChIInChI=1S/C14H13N3O4/c15-11(18)7-17(8-12(19)20)14(21)10-5-1-3-9-4-2-6-16-13(9)10/h1-6H,7-8H2,(H2,15,18)(H,19,20)
InChIKeyDUDRSSUTCPLKTD-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.25
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-(quinoline-8-carbonyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(quinoline-8-carbonyl)amino]acetic acid (PubChem CID 107433551) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(quinoline-8-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(quinoline-8-carbonyl)amino]acetic acid
PubChem CID107433551
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name2-[(2-amino-2-oxoethyl)-(quinoline-8-carbonyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)c1cccc2cccnc12
InChIInChI=1S/C14H13N3O4/c15-11(18)7-17(8-12(19)20)14(21)10-5-1-3-9-4-2-6-16-13(9)10/h1-6H,7-8H2,(H2,15,18)(H,19,20)
InChIKeyDUDRSSUTCPLKTD-UHFFFAOYSA-N
XLogP0.25
TPSA113.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-propylquinoline-8-carboxamide
CID 62849856
N-(2-bromoethyl)-N-propylquinoline-8-carboxamide
CID 80660904
palladium;quinoline-8-carboxylic acid
CID 174945118
2-[(6-fluoroquinoline-8-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 120516190
2-[(2-amino-2-oxoethyl)-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid
CID 107433916
N,N-diphenylbenzo[h]quinoline-10-carboxamide
CID 102590221
2-methyl-2-[methyl(quinoline-8-carbonyl)amino]propanoic acid
CID 62819546
N-(2-bromoethyl)-N-methylquinoline-8-carboxamide
CID 80659623
N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-8-carboxamide
CID 76951123
2-[ethyl(quinoline-8-carbonyl)amino]-2-methylpropanoic acid
CID 62818606
N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide
CID 115673293
2-[(2-amino-2-oxoethyl)-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid
CID 107438737

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(quinoline-8-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(quinoline-8-carbonyl)amino]acetic acid (CID 107433551) is 2-[(2-amino-2-oxoethyl)-(quinoline-8-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(quinoline-8-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(quinoline-8-carbonyl)amino]acetic acid is NC(=O)CN(CC(=O)O)C(=O)c1cccc2cccnc12.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(quinoline-8-carbonyl)amino]acetic acid?
The InChIKey is DUDRSSUTCPLKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c15-11(18)7-17(8-12(19)20)14(21)10-5-1-3-9-4-2-6-16-13(9)10/h1-6H,7-8H2,(H2,15,18)(H,19,20).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(quinoline-8-carbonyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(quinoline-8-carbonyl)amino]acetic acid has a molecular weight of 287.28 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(quinoline-8-carbonyl)amino]acetic acid is sourced from PubChem (CID 107433551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).